9S61

Crystal structure of Aurora-A bound to DBL8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	57.392, 71.759, 88.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.833 - 2.369
Rwork	0.187
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.101
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.833	2.540
High resolution limit [Å]	2.360	2.360
Number of reflections	11954	598
<I/σ(I)>	19.3
Completeness [%]	78.9
Redundancy	9.5
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.09 M NPS, 0.12M Ethylene glycol, 0.1 M Buffer system 3 pH 8.5, 37.5% Precipitant mix 4